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119736-16-2

119736-16-2 | 4H-Pyran-2-carboxylic acid, 4-oxo-3-(phenylmethoxy)-

CAS No: 119736-16-2 Catalog No: AG000PKF MDL No:MFCD22741607

Product Description

Catalog Number:
AG000PKF
Chemical Name:
4H-Pyran-2-carboxylic acid, 4-oxo-3-(phenylmethoxy)-
CAS Number:
119736-16-2
Molecular Formula:
C13H10O5
Molecular Weight:
246.2155
MDL Number:
MFCD22741607
IUPAC Name:
4-oxo-3-phenylmethoxypyran-2-carboxylic acid
InChI:
InChI=1S/C13H10O5/c14-10-6-7-17-12(13(15)16)11(10)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16)
InChI Key:
KJSJBKBZMGSIPT-UHFFFAOYSA-N
SMILES:
O=c1ccoc(c1OCc1ccccc1)C(=O)O

Properties

Complexity:
402  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.053g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.218g/mol
Monoisotopic Mass:
246.053g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

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